7-bromo-1-methyl-3a,7a-dihydroindazole

C8H9BrN2 — CID 58968809

IUPAC7-bromo-1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=CC=C(Br)C21
InChIInChI=1S/C8H9BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,1H3
InChIKeyRKTOGJOCAZMPMG-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.75
Rot. Bonds

About 7-bromo-1-methyl-3a,7a-dihydroindazole

7-bromo-1-methyl-3a,7a-dihydroindazole (PubChem CID 58968809) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 7-bromo-1-methyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name7-bromo-1-methyl-3a,7a-dihydroindazole
PubChem CID58968809
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name7-bromo-1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=CC=C(Br)C21
InChIInChI=1S/C8H9BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,1H3
InChIKeyRKTOGJOCAZMPMG-UHFFFAOYSA-N
XLogP1.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-3a,7a-dihydroindazole?
The IUPAC name of 7-bromo-1-methyl-3a,7a-dihydroindazole (CID 58968809) is 7-bromo-1-methyl-3a,7a-dihydroindazole.
What is the SMILES notation for 7-bromo-1-methyl-3a,7a-dihydroindazole?
The canonical SMILES for 7-bromo-1-methyl-3a,7a-dihydroindazole is CN1N=CC2C=CC=C(Br)C21.
What is the InChIKey of 7-bromo-1-methyl-3a,7a-dihydroindazole?
The InChIKey is RKTOGJOCAZMPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-6,8H,1H3.
What are the key properties of 7-bromo-1-methyl-3a,7a-dihydroindazole?
7-bromo-1-methyl-3a,7a-dihydroindazole has a molecular weight of 213.08 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-3a,7a-dihydroindazole is sourced from PubChem (CID 58968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).